(6R)-6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6R)-6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6R)-6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-tert-butyl-2-[(2-ethyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6R)-6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C19H28NO3S- MolecularWeight: 350.49552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)C[C@@H](CC2)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C19H29NO3S/c1-6-11(7-2)16(21)20-17-15(18(22)23)13-9-8-12(19(3,4)5)10-14(13)24-17/h11-12H,6-10H2,1-5H3,(H,20,21)(H,22,23)/p-1/t12-/m1/s1